SCHEMBL16339702

SCHEMBL16339702

COCCNC(=O)C1CN(c2nn(C(C)C)c3cc(Cl)ncc23)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPK1 P28482 3/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ EIF2AK4 Q9P2K8 5/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ HTR4 Q13639 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16339089 0.81 POLB (0.38) KDM4ENOTUMALDH1A1HSD17B10KIT
SCHEMBL16340074 0.80 KMT2A (0.40) KDM4EHPGDMAPK1ALDH1A1HSD17B10
SCHEMBL16339725 0.77 EGFR (0.42) MAPK1EGFR
SCHEMBL16374339 0.73 MTOR (0.36) MAPK1EGFR
SCHEMBL16339495 0.73 EGFR (0.75) EGFR
SCHEMBL16339091 0.70 EGFR (0.35) KDM4EHPGDALDH1A1EGFR
SCHEMBL31539675 0.69 LMNA (0.36) KDM4EMAPK1L3MBTL1EGFR
SCHEMBL16339483 0.69 MAPK1 (0.34) MAPK1EGFR
SCHEMBL16339511 0.69 EGFR (0.38) EGFR
SCHEMBL16339509 0.69 EGFR (0.38) EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052494-B1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2018-12-26 — — EP disclosed
US-9951064-B2 Azaindazole compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-04-24 — — US disclosed
US-9951064-B2 Azaindazole compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-04-24 — — US disclosed
US-9951064-B2 Azaindazole compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-04-24 — — US disclosed
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-09-08 — — US disclosed
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-09-08 — — US disclosed
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-09-08 — — US disclosed
EP-3052494-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2016-08-10 — — EP disclosed
WO-2014210354-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-12-31 — — WO disclosed
WO-2014210354-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-12-31 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS EGFR, ERBB2, ERBB3 KDM4E 1782/4885HPGD 3904/4885MAPK1 613/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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